2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

C18H25N5O2 — CID 72865913

IUPAC2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(OC2CCN(c3cc(NCCO)nc(N)n3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-13-2-4-14(5-3-13)25-15-6-9-23(10-7-15)17-12-16(20-8-11-24)21-18(19)22-17/h2-5,12,15,24H,6-11H2,1H3,(H3,19,20,21,22)
InChIKeyAWGYUOVOCGMOFR-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.82
Rot. Bonds6

About 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 72865913) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID72865913
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(OC2CCN(c3cc(NCCO)nc(N)n3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-13-2-4-14(5-3-13)25-15-6-9-23(10-7-15)17-12-16(20-8-11-24)21-18(19)22-17/h2-5,12,15,24H,6-11H2,1H3,(H3,19,20,21,22)
InChIKeyAWGYUOVOCGMOFR-UHFFFAOYSA-N
XLogP1.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
CID 50948345
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
(3S,4R)-9-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163315394
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
2-[[2-amino-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]ethanol
CID 50966599
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
2-[[2-amino-6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 50973235
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
CID 115563060
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 86283680
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 72865913) is 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is Cc1ccc(OC2CCN(c3cc(NCCO)nc(N)n3)CC2)cc1.
What is the InChIKey of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is AWGYUOVOCGMOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-2-4-14(5-3-13)25-15-6-9-23(10-7-15)17-12-16(20-8-11-24)21-18(19)22-17/h2-5,12,15,24H,6-11H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 343.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 72865913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).